Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : W4C

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
2	InChIKey	InChI	1.06	DREHLOUTGXFLNU-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C(c1ccc(Cl)cc1Cl)N(CC)CCO
4	SMILES	CACTVS	3.385	CCN(CCO)C(=O)c1ccc(Cl)cc1Cl
5	SMILES	OpenEye OEToolkits	2.0.7	CCN(CCO)C(=O)c1ccc(cc1Cl)Cl
6	Canonical SMILES	CACTVS	3.385	CCN(CCO)C(=O)c1ccc(Cl)cc1Cl
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(CCO)C(=O)c1ccc(cc1Cl)Cl